SCHEMBL5437243

SCHEMBL5437243

COc1c(Cl)cc(F)c(-n2ncc(C(F)(F)F)cc2=O)c1NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
SCD O00767 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5388347 0.80 CASP3 (0.44) KDM4ENPC1CASP3RAB9ASENP7
SCHEMBL5388822 0.79 NPBWR1 (0.39) KDM4EMAPTNPBWR1MCHR1
SCHEMBL7565226 0.79 NPC1 (0.38) TAS1R3TAS1R1TAS1R2NPC1CASP3
SCHEMBL5382538 0.75 NPBWR1 (0.42) KDM4EMAPTNPBWR1MCHR1
SCHEMBL5388466 0.73 NPBWR1 (0.40) KDM4ECYP1A2CYP3A4CYP2C19MAPT
SCHEMBL6793507 0.70 GRIN2D (0.38) CYP3A4MAPTNPBWR1MCHR1
SCHEMBL5396106 0.68 KMT2A (0.37) CYP1A2CYP3A4CYP2C19NPBWR1MCHR1
SCHEMBL5437236 0.66 MALT1 (0.38) CYP1A2CYP3A4CYP2C19RXFP1MAPT
SCHEMBL5394876 0.64 L3MBTL1 (0.34) KDM4ENPC1RAB9ACYP3A4PLAU
SCHEMBL6794821 0.64 PPOX (0.44) RAB9AMAPTNPBWR1MCHR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39590-E1 Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them ISK AMERICAS INCORPORATED (US) 2007-04-24 US disclosed
US-6545161-B2 Potato and corn crops ISK AMERICAS INCORPORATED 2003-04-08 US disclosed
EP-1030843-A4 SUBSTITUTED BENZENE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND HERBICIDAL AND DEFOLIANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INC (US) 2002-11-06 EP disclosed
US-20020133007-A1 Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them ISK AMERICAS INCORPORATED 2002-09-19 US disclosed
US-6355799-B1 PREEMERGENT HERBICIDE FOR CEREAL CROP FIELDS, DEFOLIANT FOR POTATO AND COTTON PLANTS ISK AMERICAS INCORPORATED 2002-03-12 US disclosed
EP-1030843-A1 SUBSTITUTED BENZENE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND HERBICIDAL AND DEFOLIANT COMPOSITIONS CONTAINING THEM ISK Americas Incorporated (US) 2000-08-30 EP disclosed
WO-1999021837-A1 SUBSTITUTED BENZENE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND HERBICIDAL AND DEFOLIANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INCORPORATED (US) 1999-05-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020133007-A1 Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them DDT, CYP4X1, CYP1A1 KDM4E 994/4885TAS1R3 2421/4885TAS1R1 1827/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.